IUPAC name
1-(4-chlorophenyl)-2-(methylthio)-1-propanone O-[(3-phenoxyphenyl)methyl]oxime
SMILES
CC(C(=NOCc1cccc(c1)Oc1ccccc1)c1ccc(cc1)Cl)SC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
sulfoxime
IUPAC name
1-(4-chlorophenyl)-2-(methylthio)-1-propanone O-[(3-phenoxyphenyl)methyl]oxime
SMILES
CC(C(=NOCc1cccc(c1)Oc1ccccc1)c1ccc(cc1)Cl)SC
INCHI
InChI=1S/C23H22ClNO2S/c1-17(28-2)23(19-11-13-20(24)14-12-19)25-26-16-18-7-6-10-22(15-18)27-21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3
FORMULA
C23H22ClNO2S
Common name
sulfoxime
IUPAC name
1-(4-chlorophenyl)-2-(methylthio)-1-propanone O-[(3-phenoxyphenyl)methyl]oxime
Molecular weight
411.944
clogP
6.464
clogS
-6.903
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
56.12
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00055 | methylsulfanylethane |
|
S(C)CC | 0.0089 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF05018 | N-methoxymethanimine |
|
CON=C | 0.0017 |
| FDBF05020 | (NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine |
|
O/N=C/c1ccc(cc1)Cl | 0.0007 |
| FDBF05023 | 1-(4-chlorophenyl)-N-methoxymethanimine |
|
CO/N=C/c1ccc(cc1)Cl | 0.0007 |
| FDBF05483 | (NZ)-N-[(2S)-2-methylsulfanylpropylidene]hydroxylamine |
|
S(C)[C@@H](C)/C=N\O | 0.0003 |
| FDBF05484 | (NE)-N-[1-(4-chlorophenyl)propylidene]hydroxylamine |
|
c1(ccc(cc1)Cl)/C(=N/O)/CC | 0.0003 |
| FDBF05485 | N-methoxypropan-1-imine |
|
CC/C=N\OC | 0.0003 |
17 ,
2
